AM1 treatment of silacyclacenes

被引：33
|
作者：
Türker, L [1 ]
机构：
[1] Middle E Tech Univ, Dept Chem, TR-06531 Ankara, Turkey
来源：
POLYCYCLIC AROMATIC COMPOUNDS | 1997年 / 12卷 / 03期
关键词：
cyclacenes; silacyclacenes; AM1; treatment; frontier molecular orbital energies; cryptoannulenic effect;
D O I：
10.1080/10406639708233837
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on Huckel type silacyclacenes having arenoid rings (R) of 2-9. The first and second type cryptoannulenic effects are defined.
引用
收藏
页码：213 / 219
页数：7
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